Monomers

2-Methoxyprop-2-enenitrile

Identifiers

IUPAC name
2-methoxyprop-2-enenitrile
InchI
InChI=1S/C4H5NO/c1-4(3-5)6-2/h1H2,2H3
InchI Key
PEIBTJDECFEPAF-UHFFFAOYSA-N
SMILES
COC(=C)C#N
Canonical SMILES
COC(=C)C#N
Isomeric SMILES
COC(=C)C#N
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H5NO
Heavy Atom Count
6
Molecular Weight
83.09
Exact Molecular Weight
83.0371
Valence Electrons
32
Radical Electrons
0
tPSA
33.02
MolLogP
0.6701
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -1.5980    0.2151    0.5432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6792   -0.2061   -0.3895 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7409   -0.0884   -0.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3683   -0.7968   -1.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    0.8098    0.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7024    1.5939    1.4949 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250   -0.2630    1.5536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6182    0.0847    0.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4522    1.3264    0.7378 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2448   -1.1970   -1.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5494   -1.4785   -1.7181 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  5  6  3  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  4 10  1  0
  4 11  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers